(2,4-dimethoxyphenyl)-(3-propylphenyl)methanone

C18H20O3 — CID 115812154

IUPAC(2,4-dimethoxyphenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2ccc(OC)cc2OC)c1
InChIInChI=1S/C18H20O3/c1-4-6-13-7-5-8-14(11-13)18(19)16-10-9-15(20-2)12-17(16)21-3/h5,7-12H,4,6H2,1-3H3
InChIKeyBVDWJYLSJHNBTG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.89
Rot. Bonds6

About (2,4-dimethoxyphenyl)-(3-propylphenyl)methanone

(2,4-dimethoxyphenyl)-(3-propylphenyl)methanone (PubChem CID 115812154) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(3-propylphenyl)methanone
PubChem CID115812154
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(2,4-dimethoxyphenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2ccc(OC)cc2OC)c1
InChIInChI=1S/C18H20O3/c1-4-6-13-7-5-8-14(11-13)18(19)16-10-9-15(20-2)12-17(16)21-3/h5,7-12H,4,6H2,1-3H3
InChIKeyBVDWJYLSJHNBTG-UHFFFAOYSA-N
XLogP3.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(3-propylphenyl)methanone
CID 116543424
(2-butoxy-4-methoxyphenyl)-phenylmethanone
CID 18335918
(4-chloro-2-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 114962459
(2,4-dichlorophenyl)-(3-propylphenyl)methanone
CID 115812034
1-methoxy-3-propylbenzene
CID 14270128
methyl 3-propylbenzoate
CID 12861009
(3-propoxyphenyl)-(3-propylphenyl)methanone
CID 115812256
(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone
CID 116543192
(2-tert-butylphenyl)-(3-propylphenyl)methanone
CID 115812250
(2-ethoxyphenyl)-(3-methoxyphenyl)methanone
CID 62802553
(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone
CID 114971196
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(3-propylphenyl)methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-(3-propylphenyl)methanone (CID 115812154) is (2,4-dimethoxyphenyl)-(3-propylphenyl)methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(3-propylphenyl)methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)c2ccc(OC)cc2OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(3-propylphenyl)methanone?
The InChIKey is BVDWJYLSJHNBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-6-13-7-5-8-14(11-13)18(19)16-10-9-15(20-2)12-17(16)21-3/h5,7-12H,4,6H2,1-3H3.
What are the key properties of (2,4-dimethoxyphenyl)-(3-propylphenyl)methanone?
(2,4-dimethoxyphenyl)-(3-propylphenyl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(3-propylphenyl)methanone is sourced from PubChem (CID 115812154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).